CAS
957514-15-7 Purity
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957514-15-7 Purity
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Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS
95752-86-6
Catalog Number
ACM95752866
Category
Other Products
Molecular Weight
218.06
Molecular Formula
C12H15BO3
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Specification
Synonyms
95752-86-6, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, 2-Formylbenzeneboronic acid 2,2-dimethylpropanediol-1,3 cyclic ester, AC1N5NPN, CTK8B3953, MolPort-001-768-224, ANW-43538, OR3975, AB17276, AG-H-93776, FT-0642311, B-1241, 2-Formylphenylboronic acid neopentyl glycol ester, 2-BORONOBENZALDEHYDE NEOPENTYL GLYCOL ESTER, A845455, 2-Formylbenzeneboronic acid, neopentyl glycol ester, 2-Formylphenylboronic acid, neopentyl glycol ester,, 2-FORMYLBENZENEBORONIC ACID NEOPENTYL GLYCOL ESTER, (2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER, 2-FORMYLPHENYLBORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER
IUPAC Name
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
Canonical SMILES
B1(OCC(CO1)(C)C)C2=CC=CC=C2C=O
InChI Key
BJRXNDLMZZAOAB-UHFFFAOYSA-N
Boiling Point
355.6ºC at 760mmHg
Flash Point
168.8ºC
Density
1.08g/cm³
Exact Mass
218.11100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
The molecular formula is C12H15BO3.
What is the molecular weight of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
The molecular weight is 218.06 g/mol.
What are some synonyms for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
Some synonyms include 2-formylphenylboronic acid, neopentyl glycol ester, 2-formylbenzeneboronic acid, and more.
When was 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde created in PubChem?
It was created on September 13, 2005.
What is the InChIKey for 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
The InChIKey is BJRXNDLMZZAOAB-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
The topological polar surface area is 35.5 Ų.
Does 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
How many covalently-bonded units are there in 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde?
There is 1 covalently-bonded unit.
Is 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
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